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Chemical ID: 5492748
Chemical ID:
5492748
Name [?]:
2-(2,4-dichlorophenoxy)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-24-13-5-2-11(3-6-13)15-10-26-18(21-15)22-17(23)9-25-16-7-4-12(19)8-14(16)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,7,21,4,8,20,23,17,10,6,22,3,24,9,19,15,12,26,25,13,14,16,2,18,11/E:(2,3)(5,6)/rA:26nCOCCCCCCCCSCNNCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37701 |
Area: | 626.802 |
Solvation: | -6.29303 |
Coulombic: | -41.3467 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.67 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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